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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Tachioside
|
302.28
|
-0.9
|
5
|
8
|
128.84
|
4
|
|
|
(1R,14S)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
|
410.40
|
3
|
1
|
7
|
83.45
|
2
|
|
|
Anthecotulide
|
248.32
|
3.2
|
0
|
3
|
43.37
|
5
|
|
|
5,8,8-Trimethyl-3-oxatricyclo(5.1.0.02,4)octane
|
152.23
|
2.4
|
0
|
1
|
12.53
|
0
|
|
|
4-Hydroxy-2-oxobutanoic acid
|
118.09
|
-1.1
|
2
|
4
|
74.6
|
3
|
|
|
Hexadec-8-enoic acid
|
254.41
|
6.4
|
1
|
2
|
37.3
|
13
|
|
|
2-Methyl-2-(4-methyl-3-cyclohexen-1-yl)oxirane
|
152.23
|
1.8
|
0
|
1
|
12.53
|
1
|
|
|
Cryptomerione
|
218.33
|
4.3
|
0
|
1
|
17.07
|
4
|
|
|
Artonin B
|
502.60
|
6.7
|
4
|
7
|
120.36
|
3
|
|
|
1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine
|
325.40
|
4
|
0
|
3
|
38.77
|
6
|
|
|
Dendrochrysanene
|
508.50
|
5
|
3
|
8
|
122.52
|
2
|
|
|
L-Aminobutyric Acid-d3
|
106.14
|
-2.5
|
2
|
3
|
63.32
|
2
|
|
|
ent-Kaurene
|
272.50
|
6.9
|
0
|
0
|
0
|
0
|
|
|
trans-Dodec-2-enoyl-CoA
|
947.80
|
-0.6
|
9
|
22
|
418.36
|
29
|
|
|
tetradecanoyl-CoA
|
977.90
|
0.6
|
9
|
22
|
418.36
|
32
|
|
|
2-methylbutanoyl-CoA
|
851.70
|
-4.2
|
9
|
22
|
418.36
|
22
|
|
|
(R)-3-Hydroxybutanoyl-CoA
|
853.60
|
-5.9
|
10
|
23
|
438.59
|
22
|
|
|
(S)-3-Hydroxydecanoyl-CoA
|
937.80
|
-2.9
|
10
|
23
|
438.59
|
28
|
|
|
(S)-3-Hydroxyhexanoyl-CoA
|
881.70
|
-5.1
|
10
|
23
|
438.59
|
24
|
|
|
trans-Oct-2-enoyl-CoA
|
891.70
|
-2.8
|
9
|
22
|
418.36
|
25
|
|
|
cis-dodec-3-enoyl-CoA
|
947.80
|
-1
|
9
|
22
|
418.36
|
29
|
|
|
(2S,3S)-3-hydroxy-2-methylbutanoic acid
|
118.13
|
0
|
2
|
3
|
57.53
|
2
|
|
|
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
|
390.40
|
-0.9
|
5
|
9
|
153.75
|
9
|
|
|
Halocynthiaxanthin
|
598.90
|
8.8
|
2
|
4
|
70.06
|
11
|
|
|
[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16R)-14-hydroxy-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-13-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
664.90
|
3.8
|
5
|
10
|
155.14
|
6
|
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